![(12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione structure](/static/products/452/452920-76-2.png)
(12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
TL;DR: (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS 452920-76-2) is a chemical compound with molecular formula C24H25N3O2 and molecular weight 387.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S)-2,2-dimethyl-6-[(4-methylphenyl)methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Also Known As: (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, (S)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
| Molecular Formula | C24H25N3O2 |
|---|---|
| Molecular Weight | 387.19 g/mol |
| LogP | 3.50712 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.19467 |
| Heavy Atoms | 29 |
| Complexity | 1126.7382 |
Chemical Identifiers
| CAS Number | 452920-76-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CC(=O)N3[C@H](C2=O)CC4=C(C3(C)C)NC5=CC=CC=C45 |
Product Overview
(12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS 452920-76-2), with molecular formula C24H25N3O2 and molecular weight 387.19 g/mol. IUPAC: (8S)-2,2-dimethyl-6-[(4-methylphenyl)methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.
Chemical Property Profile of (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Property Insights of (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
The XLogP value of 3.50712 indicates that (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.41 Ų, (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The CAS number of (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is 452920-76-2.
What is the molecular formula of (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The molecular formula of (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is C24H25N3O2.
What is the molecular weight of (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The molecular weight of (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is 387.19 g/mol.
Where can I buy (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
You can request a quote for (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (12aS)-6,6-dimethyl-2-(4-methylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.